Energy formation, Gibbs, calculations

Thermodynamic properties for explosion calculations are presented for major organic chemical compounds. The thermodynamic properties include enthalpy of formation, Gibbs free energy of formation, internal energy of formation and Helmholtz free energy of formation. The major chemicals include hydrocarbon, oxygen, nitrogen, sulfur, fluorine, chlorine, bromine, iodine and other compound types. 

Figure 13.30 The Gibbs free energy of formation (CBMC calculations) for branched decane isomers relative to linear decane over various framework types [70],...

For the thermodynamic treatment of the problem, it was supposed that the excess free energy consists of two parts, a nonspecific part due to the physical fluorocarbon—hydrocarbon interactions and a specific or chemical part due to the complex formation between the two components. " " The equilibrium constant for complex formation was calculated from the experimental data regarding the excess Gibbs energy. ... 

The equilibrium constant of the exchange reaction (2.33) and the unknown value of the formation Gibbs energy of KBCI4 at 1073 K were calculated from the results of the cryoscopic measurement in the system NaCl-KBF4. In this system, the equilibrium of the... 

The assessment of the driving force follows from the reaction standard Gibbs free energies A Go, calculated by using the corresponding energies of formation of the reactant CX (AGr) and the products (AGp) in reactions (4.11a,b). 

The Gibbs energy of formation is calculated from the selected enthalpy of formation and entropy to be ... 

From these standard potentials, the corresponding Gibbs energies of formation were calculated to be ... 

The Gibbs energy of formation is calculated from the selected enthalpy of formation and entropy of GeSe(cr), the selected entropy of selenium, and the entropy of germanium in [89COX/WAG] to be ... 

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